2-[[(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoyl]amino]acetate

C11H21N3O4 — CID 6992447

IUPAC2-[[(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoyl]amino]acetate
SMILESCC(C)C[C@@H](NC(=O)[C@@H](C)[NH3+])C(=O)NCC(=O)[O-]
InChIInChI=1S/C11H21N3O4/c1-6(2)4-8(14-10(17)7(3)12)11(18)13-5-9(15)16/h6-8H,4-5,12H2,1-3H3,(H,13,18)(H,14,17)(H,15,16)/t7-,8-/m1/s1
InChIKeyMNZHHDPWDWQJCQ-HTQZYQBOSA-N
MW259.31 g/mol
LogP-2.99
Rot. Bonds7

About 2-[[(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoyl]amino]acetate

2-[[(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoyl]amino]acetate (PubChem CID 6992447) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[[(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoyl]amino]acetate.

Molecular Properties

Compound Name2-[[(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoyl]amino]acetate
PubChem CID6992447
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-[[(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoyl]amino]acetate
SMILESCC(C)C[C@@H](NC(=O)[C@@H](C)[NH3+])C(=O)NCC(=O)[O-]
InChIInChI=1S/C11H21N3O4/c1-6(2)4-8(14-10(17)7(3)12)11(18)13-5-9(15)16/h6-8H,4-5,12H2,1-3H3,(H,13,18)(H,14,17)(H,15,16)/t7-,8-/m1/s1
InChIKeyMNZHHDPWDWQJCQ-HTQZYQBOSA-N
XLogP-2.99
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-2.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoate
CID 6992389
2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate
CID 7018767
2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetic acid
CID 7009642
(2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-sulfanylpropanoate
CID 155903251
2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]acetic acid
CID 145457797
4-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-methylpentanoylamino)pentanamide
CID 144649100
2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxopropyl)pentanamide
CID 123621457
2-[2-[(2-azaniumylacetyl)amino]propanoylamino]acetate
CID 23278182
2-[[(2S)-2,4-dimethylpentanoyl]amino]acetic acid
CID 134236014
2-[(2-aminoacetyl)amino]-N-(2-hydrazinyl-2-oxoethyl)-4-methylpentanamide
CID 178118398
2-[[2-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-4-methylpentanoyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 22336890
N-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane
CID 170598149

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoyl]amino]acetate?
The IUPAC name of 2-[[(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoyl]amino]acetate (CID 6992447) is 2-[[(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoyl]amino]acetate.
What is the SMILES notation for 2-[[(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoyl]amino]acetate?
The canonical SMILES for 2-[[(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoyl]amino]acetate is CC(C)C[C@@H](NC(=O)[C@@H](C)[NH3+])C(=O)NCC(=O)[O-].
What is the InChIKey of 2-[[(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoyl]amino]acetate?
The InChIKey is MNZHHDPWDWQJCQ-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-6(2)4-8(14-10(17)7(3)12)11(18)13-5-9(15)16/h6-8H,4-5,12H2,1-3H3,(H,13,18)(H,14,17)(H,15,16)/t7-,8-/m1/s1.
What are the key properties of 2-[[(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoyl]amino]acetate?
2-[[(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoyl]amino]acetate has a molecular weight of 259.31 g/mol, XLogP of -2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoyl]amino]acetate is sourced from PubChem (CID 6992447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).